phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C15H11NO4 — CID 3605071

IUPACphenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)Oc1ccccc1
InChIInChI=1S/C15H11NO4/c17-14(19-11-6-2-1-3-7-11)10-16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2
InChIKeyJGZWKPRZZLBWHJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.20
Rot. Bonds3

About phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 3605071) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID3605071
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namephenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)Oc1ccccc1
InChIInChI=1S/C15H11NO4/c17-14(19-11-6-2-1-3-7-11)10-16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2
InChIKeyJGZWKPRZZLBWHJ-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400824
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401009
(4-acetamidophenyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27845460
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 46825038
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044
1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18277911
N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
CID 44721311
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 3605071) is phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2ccccc21)Oc1ccccc1.
What is the InChIKey of phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is JGZWKPRZZLBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(19-11-6-2-1-3-7-11)10-16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2.
What are the key properties of phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 269.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 3605071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).